Vitas-M small molecule compound

methyl (2E)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoate

Catalog ID
STK862493
SMILES COC(=O)/C(=C\C(=O)c1ccc(cc1)C)/O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H12O4 MW 220.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O4/c1-8-3-5-9(6-4-8)10(13)7-11(14)12(15)16-2/h3-7,14H,1-2H3/b11-7+
InChIKey
NXPWLSZFBIFKLI-YRNVUSSQSA-N
Synonyms
(Z)methyl2hydroxy4oxo4(ptolyl)but2enoate
COC(=O)C(=CC(=O)c1ccc(cc1)C)O
methyl(2E)2hydroxy4(4methylphenyl)4oxobut2enoate
Registry IDs
MFCD00510744
ZINC000102787755

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.